5042-0814 Screening compound: 2,7-bis(3-pyridylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone

5042-0814 Screening compound: 2,7-bis(3-pyridylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
5042-0814 Screening compound: 2,7-bis(3-pyridylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone alternative view

Chemical Structure Depiction of ChemDiv screening compound 5042-0814
2,7-bis(3-pyridylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

5042-0814

Molecular Formula

C26H16N4O4 (C26 H16 N4 O4)

Compound Name

2,7-bis(3-pyridylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone

IUPAC name

613-bis[(pyridin-3-yl)methyl]-613-diazatetracyclo[6.6.2.0^{416}.0^{1115}]hexadeca-138(16)911(15)-pentaene-571214-tetrone

SMILES

O=C(c(cc1)c(c2ccc3C(N4Cc5cnccc5)=O)c3c1C4=O)N(Cc1cnccc1)C2=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.225

Distribution Coefficient, logD

2.225

Water Solubility, LogSw

-2.37

Polar Surface Area

76.776

Acid Dissociation Constant (pKa)

23.14

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

5042-0814 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5042-0814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5042-0814?
Check Price and Availability of 5042-0814, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5042-0814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5042-0814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5042-0814
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 5042-0814 available by request